Cas no 61363-97-1 (Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester)
61363-97-1 structure
Product Name:Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester
CAS No:61363-97-1
MF:C9H13ClO3
MW:204.650722265244
CID:482263
PubChem ID:12355053
Update Time:2025-04-19
Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester
- pent-4-enyl 2-chloro-3-oxobutanoate
- DTXSID70493662
- Pent-4-en-1-yl 2-chloro-3-oxobutanoate
- 61363-97-1
-
- Inchi： 1S/C9H13ClO3/c1-3-4-5-6-13-9(12)8(10)7(2)11/h3,8H,1,4-6H2,2H3
- InChI Key： HCXDHBAWYKTAON-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)C(=O)OCCCC=C
Computed Properties
- Exact Mass: 204.05539
- Monoisotopic Mass: 204.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
61363-97-1 (Butanoic acid, 2-chloro-3-oxo-, 4-pentenyl ester) Related Products
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